Computer-Assisted Data Acquisition and Analysis in Spectro- photometry

化学系将获得一台计算机控制的紫外-可见-近红外分光光度计，供本科生实验室使用。物理化学的五个新的和改进的实验室实验将利用新的计算机辅助分光光度计。该方法允许学生以数字格式获取动力学和光谱数据，并随后使用科学电子表格（如RS/1）分析这些数据。这样，通常强加在动力学实验设计上的任意实验约束就可以放松，从而允许从数据中直接评估更一般形式的速率定律。二级动力学和酶动力学都会遇到；速率常数将用数值分析方法求得。吸收光谱的信息增强将使用二阶导数技术进行演示，该技术将实时应用，或通过随后的数据处理。该方法将用于获取分子系统和复杂混合物的激发态信息。学生还将学习如何使用强大的科学电子表格，对数据进行数值和统计分析。将强调制作专业图形和使用统计资料。

The Department of Chemistry will acquire a computer-controlled ultraviolet-visible-near-infrared spectrophotometer for use in the undergraduate laboratory. Five new and modified laboratory experiments in physical chemistry will take advantage of the new computer-assisted spectrophotometer. The approach is to allow students to acquire kinetic and spectroscopic data in digital format and to subsequently analyze these data using a scientific spreadsheet, such as RS/1. In this way, the arbitrary experimental constraints often imposed on the design of kinetic experiments can be relaxed, allowing the more general forms of rate laws to be evaluated from the data directly. Both second order and enzyme kinetics will be encountered; rate constants will be obtained using numerical methods of analysis. Information enhancement of absorption spectra will be demonstrated using the second derivative technique that will be applied in real time, or through subsequent data processing. This method will be applied to obtain information about excited states of molecular systems and complex mixtures. Students will also be taught how to use a powerful scientific spreadsheet, in the numerical and statistical analysis of data. The generation of professional graphics and the use of statistical information will be emphasized.